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ALA5286659 Name:
3-{[(3-fluoro-4-{5-methyl-7H-pyrrolo[2,3-d]pyrimid
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Mol. Formula:
C24H23FN6O2
M.W.:
446.49
Type:
---
AlogP:
4.85
Polar Surface Area:
111.80
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA5278261 Name:
4-({5-[3-(2-chloro-4-methylphenyl)pyridin-4-yl]-1,
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Mol. Formula:
C21H16ClN3OS
M.W.:
393.90
Type:
---
AlogP:
6.28
Polar Surface Area:
58.04
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA5290037 Name:
benzyl (4-(4-amino-1-(4-(4-methylpiperazin-1-yl)cy
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Mol. Formula:
C31H38N8O3
M.W.:
570.70
Type:
---
AlogP:
4.56
Polar Surface Area:
123.66
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5289711 Name:
1-(4-chlorophenyl)-3-(4-{5,6-dimethyl-7H-pyrrolo[2
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Mol. Formula:
C24H23ClFN5O2
M.W.:
467.93
Type:
---
AlogP:
5.72
Polar Surface Area:
83.14
HBA:
4
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA5275515 Name:
1-(5-{3-[4-methoxy-2-(trifluoromethyl)phenyl]pyrid
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Mol. Formula:
C20H17F3N2O2S
M.W.:
406.43
Type:
---
AlogP:
5.74
Polar Surface Area:
52.08
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA5275331 Name:
1-{5-[3-(2-chloro-4-methylphenyl)pyridin-4-yl]-1,3
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Mol. Formula:
C19H17ClN2OS
M.W.:
356.88
Type:
---
AlogP:
5.67
Polar Surface Area:
42.85
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA5209373 Name:
5,11-dimethyl-1-oxo-2,6-dihydro-1H-pyrido[4,3-b]ca
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Cas Number:
83947-94-8
Mol. Formula:
C24H18N2O3
M.W.:
382.42
Type:
---
AlogP:
5.00
Polar Surface Area:
74.95
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5207298 Name:
N-benzyl-4-((4-chlorophenyl)sulfamoyl)-N-methylben
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Mol. Formula:
C21H19ClN2O3S
M.W.:
414.91
Type:
---
AlogP:
4.41
Polar Surface Area:
66.48
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA5206718 Name:
N-methyl-N-phenyl-4-(phenylsulfamoyl)benzamide
Mol. Formula:
C20H18N2O3S
M.W.:
366.44
Type:
---
AlogP:
3.76
Polar Surface Area:
66.48
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA5206269 Name:
N-benzyl-4-(N-phenylsulfamoyl)-N-(prop-2-yn-1-yl)b
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Mol. Formula:
C23H20N2O3S
M.W.:
404.49
Type:
---
AlogP:
3.76
Polar Surface Area:
66.48
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA5202859 Name:
(S)-2-benzyl-6-(8-chloro-5-methyl-4-oxo-2,3,4,5-te
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Mol. Formula:
C24H22ClN5O4
M.W.:
479.92
Type:
---
AlogP:
2.11
Polar Surface Area:
110.76
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA5202731 Name:
N-benzyl-N-(2-(1-benzyl-1H-1,2,3-triazol-4-yl)ethy
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Mol. Formula:
C31H29N5O3S
M.W.:
551.67
Type:
---
AlogP:
5.01
Polar Surface Area:
97.19
HBA:
6
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA5200744 Name:
N-methyl-N-(2-phenylethyl)-4-(phenylsulfamoyl)-ben
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Mol. Formula:
C22H22N2O3S
M.W.:
394.50
Type:
---
AlogP:
3.80
Polar Surface Area:
66.48
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA5196193 Name:
N-benzyl-N-methyl-4-((phenethyl)sulfamoyl)benzamid
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Mol. Formula:
C23H24N2O3S
M.W.:
408.52
Type:
---
AlogP:
3.48
Polar Surface Area:
66.48
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA5192852 Name:
N-benzyl-4-(N-(3-chlorophenyl)sulfamoyl)-N-(prop-2
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Mol. Formula:
C23H19ClN2O3S
M.W.:
438.94
Type:
---
AlogP:
4.42
Polar Surface Area:
66.48
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA5191969 Name:
N-benzyl-4-(benzylsulfamoyl)-N-methylbenzamide
Mol. Formula:
C22H22N2O3S
M.W.:
394.50
Type:
---
AlogP:
3.44
Polar Surface Area:
66.48
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA5190928 Name:
N-benzyl-N-(but-3-yn-1-yl)-4-(phenylsulfamoyl)benz
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Mol. Formula:
C24H22N2O3S
M.W.:
418.52
Type:
---
AlogP:
4.15
Polar Surface Area:
66.48
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA5190028 Name:
N-benzyl-4-(N-phenylsulfamoyl)-N-((1-(pyridin-4-yl
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Mol. Formula:
C29H26N6O3S
M.W.:
538.63
Type:
---
AlogP:
4.36
Polar Surface Area:
110.08
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA5189191 Name:
N-benzyl-4-((2-chlorophenyl)sulfamoyl)-N-methylben
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Mol. Formula:
C21H19ClN2O3S
M.W.:
414.91
Type:
---
AlogP:
4.41
Polar Surface Area:
66.48
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA5186508 Name:
N-benzyl-4-((3-chlorophenyl)sulfamoyl)-N-propylben
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Mol. Formula:
C23H23ClN2O3S
M.W.:
442.97
Type:
---
AlogP:
5.19
Polar Surface Area:
66.48
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
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